UCSF

ZINC34376944

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.10 12.81 -35.64 2 4 1 44 456.393 6
Mid Mid (pH 6-8) 6.10 11.99 -8.42 1 4 0 43 455.385 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDM2-1-E P53-binding Protein Mdm-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MDM2_HUMAN Q00987 P53-binding Protein Mdm-2, Human 90 0.32 Binding ≤ 1μM
MDM2_HUMAN Q00987 P53-binding Protein Mdm-2, Human 90 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
AKT phosphorylates targets in the cytosol
Constitutive PI3K/AKT Signaling in Cancer
Oncogene Induced Senescence
Oxidative Stress Induced Senescence
Stabilization of p53
Trafficking of AMPA receptors

Analogs ( Draw Identity 99% 90% 80% 70% )